Geometry & MOs

Info

ID:	241821
PubChem CID:	96024344
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-81.16
Dipole, Da:	4.63
IP(EA), eV:	-9.33(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-methylpropyl]acetamide

Drug info:

PubChemData

Smile

CNC(=O)[C@H]1CCCN1C[C@@H](C2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations